Information card for entry 4322186

Structure parameters

• Chemical name: Cu2[(C6H5)3P]4B6H6
• Formula: C76 H72 B6 Cu2 N2 P4
• Calculated formula: C76 H66 B6 Cu2 N2 P4
• SMILES: [BH]1234[Cu]5([P](c6ccccc6)(c6ccccc6)c6ccccc6)([BH]671[BH]135[BH]352[BH]246[BH]713[Cu]52([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC
• Title of publication: Synthesis and Crystal Structure of a New Hexahydro-closo-hexaborate Copper(I) Complex Cu2[(C6H5)3P]4B6H6
• Authors of publication: Raifah M. Kabbani; Arnold L. Rheingold; Kin-Chung Lam; Yevgeniy Margulis; Max Vovchenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3748 - 3750
• a: 9.6717 ± 0.0019 Å
• b: 10.576 ± 0.002 Å
• c: 17.653 ± 0.002 Å
• α: 80.216 ± 0.013°
• β: 83.631 ± 0.015°
• γ: 84.642 ± 0.017°
• Cell volume: 1763.3 ± 0.5 ų
• Cell temperature: 256 ± 2 K
• Ambient diffraction temperature: 256 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No